Information card for entry 4074631

Structure parameters

• Formula: C29 H22 O5 Ru2
• Calculated formula: C29 H22 O5 Ru2
• SMILES: [Ru]123([Ru]4567(C#[O])(C#[O])[c]8([c]7([cH]6[cH]5[cH]48)Cc4ccccc4)[C]43=[C]2(C1c1ccccc1)CCC4)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes
• Authors of publication: Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1158 - 1166
• a: 8.928 ± 0.003 Å
• b: 10.143 ± 0.004 Å
• c: 14.022 ± 0.005 Å
• α: 98.909 ± 0.006°
• β: 95.115 ± 0.006°
• γ: 93.64 ± 0.006°
• Cell volume: 1245.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No